Name Description  
PaDEL-ADVA software to perform virtual screening using AutoDock Vina.Download
PaDEL-DDPredictorA software to calculate pharmacodynamics, pharmacokinetics and toxicological properties of compounds.Download
PaDEL-DescriptorA software to calculate molecular descriptors and fingerprints. The software currently calculates 1875 descriptors (1444 1D, 2D descriptors and 431 3D descriptors) and 12 types of fingerprints (total 16092 bits). The descriptors and fingerprints are calculated using The Chemistry Development Kit with additional descriptors and fingerprints such as atom type electrotopological state descriptors, Crippen's logP and MR, extended topochemical atom (ETA) descriptors, McGowan volume, molecular linear free energy relation descriptors, ring counts, count of chemical substructures identified by Laggner, and binary fingerprints and count of chemical substructures identified by Klekota and Roth.Web Start